>compound D-Ala-D-ala_D-Ala-D-ala
#instrument UPLC Q-Tof Premier, Waters
>formula C6H12N2O3
#smiles C[C@@H](N)C(=O)N[C@H](C)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100310.txt
>charge 1
>ionization [M+H]+
>parentmass 161.09259

>collision 5-60
90.0556 156.5
115.0862 32.86
161.0926 178.1

